CAS RN: 2567-65-9
3,2′-Dihydroxy-4,4′-dimethoxychalcone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250413 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS2567-65-9
- Purity/Analytical Methods: >99.0%
2567-65-9 / 1-(2-hydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
Basic Information
CAS
2567-65-9
Multi CAS
No
Molecular Formula
C17H16O5
Molecular Weight
300.300000
Exact Mass
300.099774
SMILES
COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC)O)O
InChI
InChI=1S/C17H16O5/c1-21-12-5-6-13(15(19)10-12)14(18)7-3-11-4-8-17(22-2)16(20)9-11/h3-10,19-20H,1-2H3/b7-3+
InChIKey
PXZWGNIMAQEYSE-XVNBXDOJSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
82.68
TPSA
75.99
LogP / Solubility
WLOGP
3.01
MLOGP
2.66
XLogP3
3.5
Consensus LogP
3.06
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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